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1,4-Benzenedicarboxylic acid, 2-nitro-5-(propylthio)-
SpectraBase Compound ID DxpWoPXS5gp
InChI InChI=1S/C11H11NO6S/c1-2-3-19-9-5-6(10(13)14)8(12(17)18)4-7(9)11(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKey VOBACORIBBIPRH-UHFFFAOYSA-N
Mol Weight 285.27 g/mol
Molecular Formula C11H11NO6S
Exact Mass 285.030708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z5j18k6sAu
Name 1,4-Benzenedicarboxylic acid, 2-nitro-5-(propylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO6S
InChI InChI=1S/C11H11NO6S/c1-2-3-19-9-5-6(10(13)14)8(12(17)18)4-7(9)11(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKey VOBACORIBBIPRH-UHFFFAOYSA-N
Molecular Weight 285.270 g/mol
SMILES OC(c1cc(c(C(O)=O)cc1[N+]([O-])=O)SCCC)=O
SPLASH splash10-004u-7490000000-1ce2863adf82c2e65cf7
Source of Spectrum JX-2015-2-1095
Synonyms 2-Nitro-5-(propylthio)terephthalic acid 2-Nitro-5-(propylsulfanyl)benzene-1,4-dicarboxylic acid 2-Nitro-5-propylsulfanylterephthalic acid 2-Nitro-5-propylsulfanyl-terephthalic acid
Wiley ID 1722770